%chk=000298406.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298406

0 1
O 1.165762 3.021427 0.819409
N 0.125467 1.647871 -0.681250
N -2.837241 -0.634666 -0.683285
N 2.937829 0.512771 0.643088
C -1.757946 -0.405592 0.318341
C -0.402750 -0.769341 -0.323211
C -1.746349 1.039233 0.866532
C 0.095953 0.297925 -1.307644
C -1.206092 2.059617 -0.143971
C 1.262075 2.115974 0.007333
C 2.640514 1.534205 -0.395818
C -4.193866 -0.653572 -0.266634
C 3.667351 2.662099 -0.464469
C -5.197113 -0.403594 -1.233157
C -4.564440 -1.002360 1.049487
C 3.923066 -0.480587 0.370878
C -6.539280 -0.518863 -0.878723
C -5.915207 -1.108980 1.379937
C -6.907907 -0.867503 0.425615
C 4.512616 -1.147053 1.470231
C 4.239734 -0.881967 -0.942094
C 5.387295 -2.207124 1.243707
C 5.120903 -1.945609 -1.144312
C 5.697342 -2.612327 -0.060200
H -1.940695 -1.109226 1.177167
H -0.477518 -1.749215 -0.836082
H 0.349774 -0.908362 0.482074
H -1.126961 1.070972 1.785965
H -2.765269 1.334294 1.185449
H 1.108354 0.027213 -1.685411
H -0.566979 0.354774 -2.200121
H -1.898597 2.178745 -1.004026
H -1.107214 3.062283 0.338138
H -2.672741 -0.147038 -1.565567
H 2.575605 1.027527 -1.399547
H 3.652752 3.279742 0.447239
H 4.684653 2.273710 -0.591738
H 3.461536 3.341692 -1.300584
H 3.016916 0.933852 1.577303
H -4.926826 -0.136819 -2.250095
H -3.805625 -1.204421 1.800274
H -7.310239 -0.332279 -1.626298
H -6.197656 -1.383731 2.396253
H -7.956749 -0.951402 0.693192
H 4.279505 -0.843974 2.487424
H 3.802318 -0.372593 -1.796488
H 5.836830 -2.724134 2.091776
H 5.361294 -2.255954 -2.161237
H 6.382518 -3.438745 -0.226450


%chk=000298406-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000298406

0 1
O 1.254320 3.400058 0.573353
N 0.209160 1.463841 -0.185075
N -2.823984 -0.578631 -0.394658
N 3.128746 0.649950 0.471500
C -1.862069 -0.445700 0.710621
C -0.457100 -0.898555 0.243342
C -1.779711 1.012226 1.256050
C 0.199964 0.097008 -0.746690
C -1.124297 1.962559 0.233465
C 1.330105 2.259614 0.013070
C 2.701829 1.703784 -0.468735
C -4.214733 -0.640949 -0.245309
C 3.729260 2.845631 -0.615999
C -5.036787 -0.802983 -1.402011
C -4.850338 -0.557139 1.029792
C 3.988008 -0.412353 0.145960
C -6.436986 -0.882645 -1.285061
C -6.255918 -0.641520 1.130456
C -7.064236 -0.802954 -0.017336
C 4.410579 -1.302644 1.179631
C 4.431304 -0.663274 -1.186614
C 5.234273 -2.405481 0.886967
C 5.250643 -1.779436 -1.465381
C 5.659510 -2.661185 -0.440059
H -2.182641 -1.116045 1.535502
H -0.516044 -1.899742 -0.225033
H 0.199585 -0.985672 1.128119
H -1.192742 1.015437 2.195269
H -2.792947 1.384527 1.492928
H 1.225550 -0.239479 -0.950399
H -0.349937 0.109764 -1.712966
H -1.771423 2.042405 -0.663675
H -0.981011 2.970306 0.653974
H -2.452308 -0.720218 -1.333357
H 2.556150 1.229241 -1.457771
H 3.799556 3.420403 0.321930
H 4.720398 2.428001 -0.866587
H 3.424848 3.548215 -1.412083
H 3.030424 0.875635 1.463225
H -4.566160 -0.868736 -2.392034
H -4.256253 -0.433614 1.940601
H -7.043566 -1.008152 -2.189616
H -6.721716 -0.577499 2.121018
H -8.153675 -0.864124 0.070652
H 4.083101 -1.122016 2.211797
H 4.160862 0.014827 -2.002599
H 5.545398 -3.072046 1.699791
H 5.580406 -1.951223 -2.496811
H 6.299305 -3.520521 -0.664752


